Structure Database (LMSD)

Common Name
Mutanamide
Systematic Name
N-(3-oxo-decanoyloxy)-L-leucyl-L-alanine
Synonyms
LM ID
LMFA08020297
Formula
C19H34N2O5
Exact Mass
Calculate m/z
370.246773
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Streptococcus mutans UA159 (#210007)
Bacilli (#91061)
Systems biosynthesis of secondary metabolic pathways within the oral human microbiome member Streptococcus mutans.,
Mol Biosyst, 2015
Pubmed ID: 25209237

String Representations

InChiKey (Click to copy)
IFXDDVMQZPFFIK-HOCLYGCPSA-N
InChi (Click to copy)
InChI=1S/C19H34N2O5/c1-5-6-7-8-9-10-15(22)12-17(23)21-16(11-13(2)3)18(24)20-14(4)19(25)26/h13-14,16H,5-12H2,1-4H3,(H,20,24)(H,21,23)(H,25,26)/t14-,16-/m0/s1
SMILES (Click to copy)
C(CC(=O)CCCCCCC)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O

Other Databases

PubChem CID
171120611

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 392.65
Topological Polar Surface Area 112.57
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.00
Molar Refractivity 100.65

Admin

Created at
17th Nov 2020
Updated at
17th Nov 2020